2-[5-methyl-2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]acetate

C14H12NO3- — CID 22933228

IUPAC2-[5-methyl-2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]acetate
SMILESCc1oc(/C=C/c2ccccc2)nc1CC(=O)[O-]
InChIInChI=1S/C14H13NO3/c1-10-12(9-14(16)17)15-13(18-10)8-7-11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,16,17)/p-1/b8-7+
InChIKeyJXWBMJHCIPVTFX-BQYQJAHWSA-M
MW242.25 g/mol
LogP1.45
Rot. Bonds4

About 2-[5-methyl-2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]acetate

2-[5-methyl-2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]acetate (PubChem CID 22933228) has the molecular formula C14H12NO3- and a molecular weight of 242.25 g/mol. Its IUPAC name is 2-[5-methyl-2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]acetate.

Molecular Properties

Compound Name2-[5-methyl-2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]acetate
PubChem CID22933228
Molecular FormulaC14H12NO3-
Molecular Weight242.25 g/mol
Exact Mass242.08
IUPAC Name2-[5-methyl-2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]acetate
SMILESCc1oc(/C=C/c2ccccc2)nc1CC(=O)[O-]
InChIInChI=1S/C14H13NO3/c1-10-12(9-14(16)17)15-13(18-10)8-7-11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,16,17)/p-1/b8-7+
InChIKeyJXWBMJHCIPVTFX-BQYQJAHWSA-M
XLogP1.45
TPSA66.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.25
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]acetate?
The IUPAC name of 2-[5-methyl-2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]acetate (CID 22933228) is 2-[5-methyl-2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]acetate.
What is the SMILES notation for 2-[5-methyl-2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]acetate?
The canonical SMILES for 2-[5-methyl-2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]acetate is Cc1oc(/C=C/c2ccccc2)nc1CC(=O)[O-].
What is the InChIKey of 2-[5-methyl-2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]acetate?
The InChIKey is JXWBMJHCIPVTFX-BQYQJAHWSA-M. The full InChI is InChI=1S/C14H13NO3/c1-10-12(9-14(16)17)15-13(18-10)8-7-11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,16,17)/p-1/b8-7+.
What are the key properties of 2-[5-methyl-2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]acetate?
2-[5-methyl-2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]acetate has a molecular weight of 242.25 g/mol, XLogP of 1.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]acetate is sourced from PubChem (CID 22933228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).